SCHEMBL10104442

SCHEMBL10104442

CN(C)c1ccc(/C=C/c2cc[n+](CCCCCCCCCCCSSCCCCCCCCCCC[n+]3ccc(/C=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 6/20 0.74
KDM2A Q9Y2K7 6/20 0.74
CHKA P35790 2/20 0.56
MEN1 O00255 3/20 0.51
MAPT P10636 3/20 0.51
KMT2A Q03164 3/20 0.51
CASP1 P29466 2/20 0.51
HBB P68871 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GAA P10253 1/20 0.51
BRCA1 P38398 1/20 0.51
CASP7 P55210 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
ALPG P10696 1/20 0.51
THRB P10828 1/20 0.51
HTT P42858 1/20 0.51
GFER P55789 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CHRM2 P08172 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10104197 1.00 KDM4A (0.74) KDM4AKDM2ACHKAMEN1MAPT
SCHEMBL10103992 0.95 KDM4A (0.84) KDM4AKDM2ACHKAMEN1MAPT
SCHEMBL13924758 0.95 KDM4A (0.80) KDM4AKDM2ACHKAMEN1MAPT
SCHEMBL16104223 0.95 KDM4A (0.84) KDM4AKDM2ACHKAMEN1MAPT
SCHEMBL13924729 0.95 KDM4A (0.84) KDM4AKDM2ACHKAMEN1MAPT
SCHEMBL10313115 0.92 KDM4A (0.64) KDM4AKDM2ACHKAMEN1MAPT
SCHEMBL12533259 0.91 KDM4A (0.88) KDM4AKDM2ACHKAMEN1MAPT
SCHEMBL13645407 0.89 KDM4A (0.84) KDM4AKDM2ACHKAMEN1MAPT
SCHEMBL10104166 0.88 KDM4A (0.63) KDM4AKDM2ACHKAMEN1MAPT
Bromide SCHEMBL339321 0.86 KDM4A (0.61) KDM4AKDM2ACHKAMEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2333018-B1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye L'ORÉAL (FR) 2017-11-22 EP disclosed
EP-2053094-B1 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition OREAL (FR) 2014-03-26 EP disclosed
US-8097044-B2 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping and dyeing processes L'OREAL S.A. (FR) 2012-01-17 US disclosed
EP-2333018-A1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye L'Oréal (FR) 2011-06-15 EP disclosed
EP-2330160-A1 Dying composition comprising a particular disulfide dye and process of dying keratinous fibres with this dye L'Oréal (FR) 2011-06-08 EP disclosed
WO-2009109457-A2 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING AT LEAST ONE DIRECT DYE COMPRISING A DISULPHIDE/PROTECTED-THIOL FUNCTION AND AT LEAST ONE SILICEOUS COMPOUND COMPRISING A THIOL FUNCTION AND METHOD USING THE COMPOSITION L'OREAL (FR) 2009-09-11 WO disclosed
US-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes L'OREAL S.A. (FR) 2009-05-21 US disclosed
EP-2018847-A1 Hair composition comprising at least one direct disulfide dye and at least one alkali hydroxide agent and method of simultaneous styling and dyeing. L'Oreal (FR) 2009-01-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes KRT18, DSG1, ALPG KDM4A 626/4885KDM2A 690/4885CHKA 925/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.